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- 3,9-二氮杂二环[3.3.1]壬烷-7-胺,9-甲基-,内-(9CI)
3,9-二氮杂二环[3.3.1]壬烷-7-胺,9-甲基-,内-(9CI)
3,9-二氮杂二环[3.3.1]壬烷-7-胺,9-甲基-,内-(9CI) 基本信息
- 中文名称:
- 3,9-二氮杂二环[3.3.1]壬烷-7-胺,9-甲基-,内-(9CI)
- 中文别名:
- 3,9-二氮杂二环[3.3.1]壬烷-7-胺,9-甲基-,内-(9CI);
7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide
- 英文名称:
- 2-Naphthacenecarboxamide,7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,4a,10,12,12a-pentahydroxy-8-methoxy-6-methyl-1,11-dioxo-6-[[2,3,6-trideoxy-3-(hydroxyamino)-3-C-methyl-4-O-methyl-a-L-arabino-hexopyranosyl]oxy]-,[4R-(4a,4aa,5aa,6a,12aa)]- (9CI)
- 英文别名:
- 7-chloro-4-(dimethylamino)-1,4a,10,11,12a-pentahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-3,12-dioxo-5,5a-dihydro-4H-tetracene-2-carboxamide;
Dactylocycline A;
(2Z)-2-[amino(hydroxy)methylidene]-7-chloro-4-(dimethylamino)-4a,10,11,12a-tetrahydroxy-6-[4-(hydroxyamino)-5-methoxy-4,6-dimethyloxan-2-yl]oxy-8-methoxy-6-methyl-5,5a-dihydro-4H-tetracene-1,3,12-trione
- CAS No.:
- 125622-12-0
- 分 子 式:
- C31H40ClN3O13
- 分 子 量:
- 698.1146
- 精确分子量:
- 697.22500
- PSA:
- 251.79000
- 分子结构式:
-

- SDS:
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3,9-二氮杂二环[3.3.1]壬烷-7-胺,9-甲基-,内-(9CI) 物化性质
- 密度:
- 1.59g/cm3
- 沸点:
- 845.3ºC at 760mmHg
- 闪点:
- 465ºC
- 折射率:
- 1.683
- 蒸汽压:
- 2.31E-30mmHg at 25°C
3,9-二氮杂二环[3.3.1]壬烷-7-胺,9-甲基-,内-(9CI) 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):0.2
2.氢键供体数量:8
3.氢键受体数量:15
4.可旋转化学键数量:7
5.互变异构体数量:132
6.拓扑分子极性表面积:251
7.重原子数量:48
8.表面电荷:0
9.复杂度:1440
10.同位素原子数量:0
11.确定原子立构中心数量:0
12.不确定原子立构中心数量:9
13.确定化学键立构中心数量:0
14.不确定化学键立构中心数量:0
15.共价键单元数量:1